methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate

C14H19NO3S — CID 896703

IUPACmethyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C14H19NO3S/c1-18-14(17)13-11(8-9-19-13)15-12(16)7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyKJFCJJKGXZYLOA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.44
Rot. Bonds5

About methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate

methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate (PubChem CID 896703) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate
PubChem CID896703
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C14H19NO3S/c1-18-14(17)13-11(8-9-19-13)15-12(16)7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyKJFCJJKGXZYLOA-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate (CID 896703) is methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CCC1CCCC1.
What is the InChIKey of methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate?
The InChIKey is KJFCJJKGXZYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-14(17)13-11(8-9-19-13)15-12(16)7-6-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate?
methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyclopentylpropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 896703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).